(3S)-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxylic acid

C16H19N3O3 — CID 97177724

IUPAC(3S)-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxylic acid
SMILESCCOc1nc2ccccc2nc1N1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C16H19N3O3/c1-2-22-15-14(17-12-7-3-4-8-13(12)18-15)19-9-5-6-11(10-19)16(20)21/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,20,21)/t11-/m0/s1
InChIKeyOJNPOOCCOOFQDG-NSHDSACASA-N
MW301.35 g/mol
LogP2.33
Rot. Bonds4

About (3S)-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxylic acid

(3S)-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxylic acid (PubChem CID 97177724) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is (3S)-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxylic acid
PubChem CID97177724
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name(3S)-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxylic acid
SMILESCCOc1nc2ccccc2nc1N1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C16H19N3O3/c1-2-22-15-14(17-12-7-3-4-8-13(12)18-15)19-9-5-6-11(10-19)16(20)21/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,20,21)/t11-/m0/s1
InChIKeyOJNPOOCCOOFQDG-NSHDSACASA-N
XLogP2.33
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S)-1-(3-ethoxyquinoxalin-2-yl)piperidin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 93052335
N-cyclohexyl-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752811
N-(2,3-dichlorophenyl)-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752495
(3S)-N-[(4-chlorophenyl)methyl]-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 97047786
[(3R)-1-(3-ethoxyquinoxalin-2-yl)piperidin-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 94009730
N-cyclopentyl-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752908
(3S)-N-(2-ethoxyphenyl)-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 97047687
(2R)-1-(3-ethoxyquinoxalin-2-yl)piperidine-2-carboxylic acid
CID 97177738
(3S)-1-(3-ethoxyquinoxalin-2-yl)-N-(2-methoxy-5-methylphenyl)piperidine-3-carboxamide
CID 97047734
N-(4-acetamidophenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752841
(3R)-N-(3-chloro-4-methoxyphenyl)-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 94009742
N-(2-ethylphenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752918

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxylic acid (CID 97177724) is (3S)-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxylic acid is CCOc1nc2ccccc2nc1N1CCC[C@H](C(=O)O)C1.
What is the InChIKey of (3S)-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxylic acid?
The InChIKey is OJNPOOCCOOFQDG-NSHDSACASA-N. The full InChI is InChI=1S/C16H19N3O3/c1-2-22-15-14(17-12-7-3-4-8-13(12)18-15)19-9-5-6-11(10-19)16(20)21/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,20,21)/t11-/m0/s1.
What are the key properties of (3S)-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxylic acid?
(3S)-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxylic acid has a molecular weight of 301.35 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 97177724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).